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Ligand

NameCHEMBL420997
Molecular formulaC25H25FN6
IUPAC name3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propanenitrile
Molecular weight428.515
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.8
SynonymsSCHEMBL6598273
BDBM50122810
L022035
3-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4]triazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-propionitrile
Inchi KeyFVDPLVKCBNWFME-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25FN6/c1-30-17-28-25(29-30)19-3-8-24-22(15-19)23(16-32(24)21-6-4-20(26)5-7-21)18-9-13-31(14-10-18)12-2-11-27/h3-8,15-18H,2,9-10,12-14H2,1H3
PubChem CID9910451
ChEMBLCHEMBL420997
IUPHARN/A
BindingDB50122810
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
880165-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
880115-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
880145-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
880105-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
88013Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
88008Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
88017Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
88012D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
88015D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
88009D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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